1-(6-methyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone

C16H23N3O — CID 71471946

IUPAC1-(6-methyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
SMILESCc1ccc2c(c1)N(C(=O)CN1CCN[C@H](C)C1)CC2
InChIInChI=1S/C16H23N3O/c1-12-3-4-14-5-7-19(15(14)9-12)16(20)11-18-8-6-17-13(2)10-18/h3-4,9,13,17H,5-8,10-11H2,1-2H3/t13-/m1/s1
InChIKeyOHNGWVZUUYBPTF-CYBMUJFWSA-N
MW273.38 g/mol
LogP1.18
Rot. Bonds2

About 1-(6-methyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone

1-(6-methyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone (PubChem CID 71471946) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(6-methyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(6-methyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
PubChem CID71471946
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(6-methyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
SMILESCc1ccc2c(c1)N(C(=O)CN1CCN[C@H](C)C1)CC2
InChIInChI=1S/C16H23N3O/c1-12-3-4-14-5-7-19(15(14)9-12)16(20)11-18-8-6-17-13(2)10-18/h3-4,9,13,17H,5-8,10-11H2,1-2H3/t13-/m1/s1
InChIKeyOHNGWVZUUYBPTF-CYBMUJFWSA-N
XLogP1.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone?
The IUPAC name of 1-(6-methyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone (CID 71471946) is 1-(6-methyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-(6-methyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-(6-methyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone is Cc1ccc2c(c1)N(C(=O)CN1CCN[C@H](C)C1)CC2.
What is the InChIKey of 1-(6-methyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone?
The InChIKey is OHNGWVZUUYBPTF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-3-4-14-5-7-19(15(14)9-12)16(20)11-18-8-6-17-13(2)10-18/h3-4,9,13,17H,5-8,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-(6-methyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone?
1-(6-methyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone has a molecular weight of 273.38 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 71471946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).